lp:~nickpapior/siesta/trunk-precision
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- 625. By Nick Papior
-
Updated several smaller parts to use the Kahan summation
These routines now use Kahan summation for their summations:
- dfscf (forces and stress)
- poison (total energy)
- spin-orbit (initial calculation of energy)
- siesta_analysis (charge) - 624. By Nick Papior
-
Initial move of 4.1-precision to trunk-precision
All the same as 4.1-precision, however, I have removed
the precision library dependency in the SiestaXC routine
because it is an external library.I have also added the precision summation to the vacuum-level calculation
- 621. By Nick Papior
-
Makefile bug with lto compilation
Now siesta allows compilation when special requirements
exists on sub-library creations. I.e. LTO/IPO optimizations.It has been compiled with gcc-6.2.0 with LTO for testing.
- 617. By Nick Papior
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MatrixSwitch compilation was still buggy
The problem arose in certain situations where the
MatrixSwitch sub-directory already had the library and
sources built. However, the Makefile did not copy back
the modules and library so it just got stuck.
This should be fixed now by adding a module target in the
MatrixSwitch directory.
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